N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine

C18H31N3 — CID 114539589

IUPACN-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCCNC(CCN1CC(C)N(C)C(C)C1)c1ccccc1
InChIInChI=1S/C18H31N3/c1-5-19-18(17-9-7-6-8-10-17)11-12-21-13-15(2)20(4)16(3)14-21/h6-10,15-16,18-19H,5,11-14H2,1-4H3
InChIKeyNWKHMFFWHIYNKS-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.75
Rot. Bonds6

About N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine

N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (PubChem CID 114539589) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
PubChem CID114539589
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCCNC(CCN1CC(C)N(C)C(C)C1)c1ccccc1
InChIInChI=1S/C18H31N3/c1-5-19-18(17-9-7-6-8-10-17)11-12-21-13-15(2)20(4)16(3)14-21/h6-10,15-16,18-19H,5,11-14H2,1-4H3
InChIKeyNWKHMFFWHIYNKS-UHFFFAOYSA-N
XLogP2.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
N-ethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62612136
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
CID 106674066
[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789593
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 63634964
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (CID 114539589) is N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is CCNC(CCN1CC(C)N(C)C(C)C1)c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The InChIKey is NWKHMFFWHIYNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-19-18(17-9-7-6-8-10-17)11-12-21-13-15(2)20(4)16(3)14-21/h6-10,15-16,18-19H,5,11-14H2,1-4H3.
What are the key properties of N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 114539589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).